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A key parameter in this analysis is the second-order perturbation energy E 2 , which indicates the strength of orbital interactions (higher E 2 values suggest a more efficient sensor with better drug-binding ability)

de Joode AA, Sanders JS, Puchal X, Guillevin LP, Hiemstra TF, Flossmann O, Rasmussen N, Westman K, Jayne DR, Stegeman CA (2017) Long term azathioprine maintenance therapy in ANCA-associated vasculitis: combined results of long-term follow-up data

The sulfur atom of cysteine has the ability to assume many different oxidation states, such as sulfhydryl (SH, 2), sulfenic acid (SOH, 0), sulfinic acid (SO 2 H, +2) and sulfonic acid (SO 3 H, +4), which exhibit distinct chemical properties and biological reactivity 1 ( Fig